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Target
Acetylcholinesterase
Ligand
BDBM50592330
Substrate
n/a
Meas. Tech.
ChEMBL_2203775 (CHEMBL5116483)
IC50
100±n/a nM
Citation
 Moutayakine, A; Marques, C; López, Ó; Bagetta, D; Leitzbach, L; Hagenow, S; Carreiro, EP; Stark, H; Alcaro, S; Fernández-Bolaños, JG; Burke, AJ Evaluation of chromane derivatives: Promising privileged scaffolds for lead discovery within Alzheimer's disease. Bioorg Med Chem 68:0 (2022) [PubMed] 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50592330
Synonyms:
CHEMBL5193166
Type:
Small organic molecule
Emp. Form.:
C20H27NO3S2
Mol. Mass.:
393.563
SMILES:
O=C1CC(OCCCCCSC(=S)N2CCCCC2)Oc2ccccc12
Structure:
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